![3-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid structure](/static/products/4384/438475-19-5.webp)
3-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid
TL;DR: 3-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid (CAS 438475-19-5) is a chemical compound with molecular formula C10H9F3O3 and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2,2-trifluoroethoxymethyl)benzoic acid
Also Known As: 3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid, ChemDiv3_006221, 3-((2,2,2-Trifluoroethoxy)methyl)benzoic acid, 3-(2,2,2-trifluoroethoxymethyl)benzoic acid, 3-(2,2,2-Trifluoro-ethoxymethyl)-benzoic acid
| Molecular Formula | C10H9F3O3 |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 2.4637 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.05038 |
| Heavy Atoms | 16 |
| Complexity | 373.81717 |
Chemical Identifiers
| CAS Number | 438475-19-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)COCC(F)(F)F |
Product Overview
3-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid (CAS 438475-19-5), with molecular formula C10H9F3O3 and molecular weight 234.05 g/mol. IUPAC: 3-(2,2,2-trifluoroethoxymethyl)benzoic acid.
Chemical Property Profile of 3-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid
Property Insights of 3-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid
The XLogP value of 2.4637 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 3-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid?
The CAS number of 3-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid is 438475-19-5.
What is the molecular formula of 3-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid?
The molecular formula of 3-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid is C10H9F3O3.
What is the molecular weight of 3-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid?
The molecular weight of 3-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid is 234.05 g/mol.
Where can I buy 3-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid?
You can request a quote for 3-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.